Name: Name:2-(4-tert-Butylphenyl)-2-oxoacetic acid
Brand: AABLOCKS
SKU: AA019XKQ
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA019XKQ

Chemical Name: 2-(4-tert-Butylphenyl)-2-oxoacetic acid

CAS Number: 7099-90-3

Molecular Formula: C12H14O3

Molecular Weight: 206.2378

MDL Number: MFCD11103006

SMILES: O=C(c1ccc(cc1)C(C)(C)C)C(=O)O

Properties

Complexity: 255

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 15

Hydrogen Bond Acceptor Count: 3

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 3

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 3

Downstream Synthesis Route

80120-36-1

7099-90-3

[1]Merkt,FranziskaK.;Höwedes,SimonP.;Gers-Panther,CharlotteF.;Gruber,Irina;Janiak,Christoph;Müller,ThomasJ.J.[Chemistry-AEuropeanJournal,2018,vol.24,#32,p.8114-8125]

[2]Westwood,MatthewT.;Lamb,ClaireJ.C.;Sutherland,DanielR.;Lee,Ai-Lan[OrganicLetters,2019,vol.21,#17,p.7119-7123]

7099-90-3

1073-69-4

67743-49-1

[1]CurrentPatentAssignee:GUANGDONGUNIVERSITYOFTECHNOLOGY-CN108707056,2018,ALocationinpatent:Paragraph0056-0060

7099-90-3 | 2-(4-tert-Butylphenyl)-2-oxoacetic acid